3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid

C14H17NO3 — CID 83945010

IUPAC3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
SMILESCCCn1cc(C(C)O)c2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO3/c1-3-6-15-8-12(9(2)16)11-7-10(14(17)18)4-5-13(11)15/h4-5,7-9,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyNDUNMSSSLCGOQJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.80
Rot. Bonds4

About 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid

3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid (PubChem CID 83945010) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
PubChem CID83945010
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
SMILESCCCn1cc(C(C)O)c2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO3/c1-3-6-15-8-12(9(2)16)11-7-10(14(17)18)4-5-13(11)15/h4-5,7-9,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyNDUNMSSSLCGOQJ-UHFFFAOYSA-N
XLogP2.80
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propylindole-5-carboxylic acid
CID 83945011
1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid
CID 145363422
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
1-butyl-3-methylindole-5-carboxylic acid
CID 83946820
3-(1-hydroxyethyl)-1-propylindole-4-carboxylic acid
CID 83945682
1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid
CID 145363532
1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol
CID 83945111
1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
CID 83944411
1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
CID 83963535
3-butyl-1-propylindole-6-carboxylic acid
CID 83946604
1-(1,5-diethylindol-3-yl)ethanol
CID 83945334
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid?
The IUPAC name of 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid (CID 83945010) is 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid.
What is the SMILES notation for 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid?
The canonical SMILES for 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid is CCCn1cc(C(C)O)c2cc(C(=O)O)ccc21.
What is the InChIKey of 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid?
The InChIKey is NDUNMSSSLCGOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-6-15-8-12(9(2)16)11-7-10(14(17)18)4-5-13(11)15/h4-5,7-9,16H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid?
3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid is sourced from PubChem (CID 83945010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).